V012-3014 Screening compound: N-(4-benzamidocyclohexyl)-1-(4-nitrobenzenesulfonyl)pyrrolidine-2-carboxamide

V012-3014 Screening compound: N-(4-benzamidocyclohexyl)-1-(4-nitrobenzenesulfonyl)pyrrolidine-2-carboxamide
V012-3014 Screening compound: N-(4-benzamidocyclohexyl)-1-(4-nitrobenzenesulfonyl)pyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-3014
N-(4-benzamidocyclohexyl)-1-(4-nitrobenzenesulfonyl)pyrrolidine-2-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

V012-3014

Molecular Formula

C24H28N4O6S (C24 H28 N4 O6 S)

Compound Name

N-(4-benzamidocyclohexyl)-1-(4-nitrobenzenesulfonyl)pyrrolidine-2-carboxamide

IUPAC name

(2S)-1-(4-nitrobenzenesulfonyl)-N-[(1r4r)-4-benzamidocyclohexyl]pyrrolidine-2-carboxamide

SMILES

[O-][N+](c(cc1)ccc1S(N(CCC1)C1C(N[C@H](CC1)CC[C@@H]1NC(c1ccccc1)=O)=O)(=O)=O)=O

InChI

InChI=1S/C24H28N4O6S/c29-23(17-5-2-1-3-6-17)25-18-8-10-19(11-9-18)26-24(30)22-7-4-16-27(22)35(33,34)21-14-12-20(13-15-21)28(31)32/h1-3,5-6,12-15,18-19,22H,4,7-11,16H2,(H,25,29)(H,26,30)/t18?,19?,22-/m0/s1

InChI Key

BTMYGJUDKFVQEM-AJTFCVKESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.58

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.642

Distribution Coefficient, logD

2.642

Water Solubility, LogSw

-3.08

Polar Surface Area

114.253

Acid Dissociation Constant (pKa)

14.17

Base Dissociation Constant (pKb)

0.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with V012-3014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-3014?
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What is the minimum amount of V012-3014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-3014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-3014
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of V012-3014 available by request